2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C168H113N9 — CID 161043572

IUPAC2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/2C58H39N3.C52H35N3/c1-6-18-40(19-7-1)42-30-32-44(33-31-42)55-59-56(61-57(60-55)51-37-34-45(41-20-8-2-9-21-41)38-52(51)43-22-10-3-11-23-43)46-35-36-50-49-28-16-17-29-53(49)58(54(50)39-46,47-24-12-4-13-25-47)48-26-14-5-15-27-48;1-6-18-40(19-7-1)43-30-32-44(33-31-43)55-59-56(61-57(60-55)48-37-46(41-20-8-2-9-21-41)36-47(38-48)42-22-10-3-11-23-42)45-34-35-52-51-28-16-17-29-53(51)58(54(52)39-45,49-24-12-4-13-25-49)50-26-14-5-15-27-50;1-5-17-36(18-6-1)37-29-31-39(32-30-37)49-53-50(55-51(54-49)46-27-14-13-25-43(46)38-19-7-2-8-20-38)40-33-34-45-44-26-15-16-28-47(44)52(48(45)35-40,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h2*1-39H;1-35H
InChIKeyUBEXFTHCAKHAHH-UHFFFAOYSA-N
MW2257.81 g/mol
LogP41.04
Rot. Bonds23

About 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 161043572) has the molecular formula C168H113N9 and a molecular weight of 2257.81 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID161043572
Molecular FormulaC168H113N9
Molecular Weight2257.81 g/mol
Exact Mass2255.91
IUPAC Name2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/2C58H39N3.C52H35N3/c1-6-18-40(19-7-1)42-30-32-44(33-31-42)55-59-56(61-57(60-55)51-37-34-45(41-20-8-2-9-21-41)38-52(51)43-22-10-3-11-23-43)46-35-36-50-49-28-16-17-29-53(49)58(54(50)39-46,47-24-12-4-13-25-47)48-26-14-5-15-27-48;1-6-18-40(19-7-1)43-30-32-44(33-31-43)55-59-56(61-57(60-55)48-37-46(41-20-8-2-9-21-41)36-47(38-48)42-22-10-3-11-23-42)45-34-35-52-51-28-16-17-29-53(51)58(54(52)39-45,49-24-12-4-13-25-49)50-26-14-5-15-27-50;1-5-17-36(18-6-1)37-29-31-39(32-30-37)49-53-50(55-51(54-49)46-27-14-13-25-43(46)38-19-7-2-8-20-38)40-33-34-45-44-26-15-16-28-47(44)52(48(45)35-40,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h2*1-39H;1-35H
InChIKeyUBEXFTHCAKHAHH-UHFFFAOYSA-N
XLogP41.04
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms177
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002257.81
LogP ≤ 541.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 161043572) is 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is UBEXFTHCAKHAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H39N3.C52H35N3/c1-6-18-40(19-7-1)42-30-32-44(33-31-42)55-59-56(61-57(60-55)51-37-34-45(41-20-8-2-9-21-41)38-52(51)43-22-10-3-11-23-43)46-35-36-50-49-28-16-17-29-53(49)58(54(50)39-46,47-24-12-4-13-25-47)48-26-14-5-15-27-48;1-6-18-40(19-7-1)43-30-32-44(33-31-43)55-59-56(61-57(60-55)48-37-46(41-20-8-2-9-21-41)36-47(38-48)42-22-10-3-11-23-42)45-34-35-52-51-28-16-17-29-53(51)58(54(52)39-45,49-24-12-4-13-25-49)50-26-14-5-15-27-50;1-5-17-36(18-6-1)37-29-31-39(32-30-37)49-53-50(55-51(54-49)46-27-14-13-25-43(46)38-19-7-2-8-20-38)40-33-34-45-44-26-15-16-28-47(44)52(48(45)35-40,41-21-9-3-10-22-41)42-23-11-4-12-24-42/h2*1-39H;1-35H.
What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2257.81 g/mol, XLogP of 41.04, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 161043572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).